SCHEMBL998647

SCHEMBL998647

Nc1c(Br)cc(SC(F)(F)F)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA3 P07451 1/20 0.37
KCNH2 Q12809 1/20 0.36
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
GSK3B P49841 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPRZ1 P23471 1/20 0.32
KCNK2 O95069 1/20 0.31
KCNK10 P57789 1/20 0.31
KIF11 P52732 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7751960 0.90 ALDH1A1 (0.42) KDM4EALDH1A1TDP1MAPTGAA
SCHEMBL26962919 0.86 CA1 (0.42) KDM4EALDH1A1TDP1MAPTGAA
SCHEMBL699334 0.83 GAA (0.41) KDM4EALDH1A1TDP1MAPTGAA
SCHEMBL699071 0.83 GAA (0.41) KDM4EALDH1A1TDP1MAPTGAA
SCHEMBL7751651 0.80 ALDH1A1 (0.53) KDM4EALDH1A1TDP1MAPTLMNA
SCHEMBL698372 0.79 GAA (0.38) ALDH1A1MAPTGAACA1CA2
SCHEMBL698397 0.78 GAA (0.37) MAPTGAACA1CA2CA9
SCHEMBL6090788 0.77 KDM4E (0.52) KDM4EALDH1A1TDP1MAPTCA1
SCHEMBL4158319 0.74 KDM4E (0.48) KDM4EALDH1A1TDP1MAPTKCNH2
SCHEMBL2000463 0.73 ALDH1A1 (0.46) KDM4EALDH1A1TDP1MAPTGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456759-B1 PESTICIDAL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2017-04-19 EP disclosed
EP-3153497-A2 PESTICIDAL CARBOXAMIDES Bayer Cropscience AG (DE) 2017-04-12 EP disclosed
US-9227923-B2 Pesticidal carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 US disclosed
US-8822691-B2 Pesticidal carboxamides BAYER CROPSCIENCE AG (DE) 2014-09-02 US disclosed
US-20120277185-A1 Pesticidal Carboxamides BAYER CROPSCIENDE AG (DE) 2012-11-01 US disclosed
EP-2464624-A2 PESTICIDAL CARBOXAMIDES Bayer CropScience AG (DE) 2012-06-20 EP disclosed
US-20120149910-A1 Pesticidal Carboxamides BAYER CROPSCIENCE AG (DE) 2012-06-14 US disclosed
EP-2456759-A2 PESTICIDAL CARBOXAMIDES Bayer CropScience AG (DE) 2012-05-30 EP disclosed
WO-2011018170-A2 PESTICIDAL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2011-02-17 WO disclosed
WO-2011009540-A2 PESTICIDAL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2011-01-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120277185-A1 Pesticidal Carboxamides DDT, ACHE, AADAC KDM4E 126/4885ALDH1A1 1266/4885TDP1 3481/4885
US-20120149910-A1 Pesticidal Carboxamides DDT, ACHE, AADAC KDM4E 178/4885ALDH1A1 1360/4885TDP1 3781/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.